USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 333 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 172 SER OG : rot 77:sc= 0.926 USER MOD Set 1.2: B 173 HIS : +bothHN:sc= -2.9! C(o=-2!,f=-8.3!) USER MOD Set 2.1: A 173 HIS : no HE2:sc= -1.61! C(o=-1.1!,f=-9.3!) USER MOD Set 2.2: B 172 SER OG : rot 71:sc= 0.484 USER MOD Single : A 168 SER OG : rot 180:sc= -0.0912 USER MOD Single : A 182 TYR OH : rot 180:sc= 0 USER MOD Single : B 168 SER OG : rot 180:sc= 0 USER MOD Single : B 182 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 208 N PRO A 167 5.748 8.728 1.708 1.00 0.73 N ATOM 209 CA PRO A 167 4.631 9.230 0.900 1.00 0.67 C ATOM 210 C PRO A 167 4.073 8.167 -0.040 1.00 0.55 C ATOM 211 O PRO A 167 2.873 7.888 -0.035 1.00 0.58 O ATOM 212 CB PRO A 167 5.254 10.375 0.100 1.00 0.86 C ATOM 213 CG PRO A 167 6.398 10.837 0.931 1.00 0.98 C ATOM 214 CD PRO A 167 6.926 9.613 1.625 1.00 0.91 C ATOM 0 HA PRO A 167 3.787 9.535 1.519 1.00 0.67 H new ATOM 0 HB2 PRO A 167 5.588 10.037 -0.881 1.00 0.86 H new ATOM 0 HB3 PRO A 167 4.536 11.178 -0.067 1.00 0.86 H new ATOM 0 HG2 PRO A 167 7.168 11.298 0.313 1.00 0.98 H new ATOM 0 HG3 PRO A 167 6.078 11.588 1.653 1.00 0.98 H new ATOM 0 HD2 PRO A 167 7.736 9.150 1.062 1.00 0.91 H new ATOM 0 HD3 PRO A 167 7.320 9.851 2.613 1.00 0.91 H new ATOM 222 N SER A 168 4.950 7.579 -0.846 1.00 0.55 N ATOM 223 CA SER A 168 4.546 6.548 -1.794 1.00 0.52 C ATOM 224 C SER A 168 3.776 5.432 -1.096 1.00 0.39 C ATOM 225 O SER A 168 2.706 5.026 -1.546 1.00 0.33 O ATOM 226 CB SER A 168 5.774 5.969 -2.501 1.00 0.66 C ATOM 227 OG SER A 168 6.657 5.362 -1.573 1.00 1.47 O ATOM 0 H SER A 168 5.946 7.799 -0.862 1.00 0.55 H new ATOM 0 HA SER A 168 3.890 7.008 -2.532 1.00 0.52 H new ATOM 0 HB2 SER A 168 5.458 5.234 -3.242 1.00 0.66 H new ATOM 0 HB3 SER A 168 6.295 6.761 -3.039 1.00 0.66 H new ATOM 0 HG SER A 168 7.433 4.998 -2.049 1.00 1.47 H new ATOM 233 N LEU A 169 4.330 4.939 0.008 1.00 0.40 N ATOM 234 CA LEU A 169 3.696 3.868 0.768 1.00 0.36 C ATOM 235 C LEU A 169 2.338 4.310 1.307 1.00 0.28 C ATOM 236 O LEU A 169 1.331 3.630 1.113 1.00 0.26 O ATOM 237 CB LEU A 169 4.597 3.433 1.925 1.00 0.47 C ATOM 238 CG LEU A 169 6.017 3.032 1.522 1.00 0.59 C ATOM 239 CD1 LEU A 169 6.779 2.497 2.725 1.00 0.73 C ATOM 240 CD2 LEU A 169 5.984 2.000 0.405 1.00 0.62 C ATOM 0 H LEU A 169 5.216 5.264 0.395 1.00 0.40 H new ATOM 0 HA LEU A 169 3.543 3.023 0.096 1.00 0.36 H new ATOM 0 HB2 LEU A 169 4.656 4.248 2.646 1.00 0.47 H new ATOM 0 HB3 LEU A 169 4.128 2.591 2.434 1.00 0.47 H new ATOM 0 HG LEU A 169 6.535 3.917 1.153 1.00 0.59 H new ATOM 0 HD11 LEU A 169 7.787 2.216 2.421 1.00 0.73 H new ATOM 0 HD12 LEU A 169 6.833 3.268 3.494 1.00 0.73 H new ATOM 0 HD13 LEU A 169 6.263 1.623 3.123 1.00 0.73 H new ATOM 0 HD21 LEU A 169 7.003 1.727 0.132 1.00 0.62 H new ATOM 0 HD22 LEU A 169 5.449 1.113 0.745 1.00 0.62 H new ATOM 0 HD23 LEU A 169 5.476 2.420 -0.463 1.00 0.62 H new ATOM 252 N LEU A 170 2.322 5.451 1.986 1.00 0.31 N ATOM 253 CA LEU A 170 1.090 5.985 2.554 1.00 0.33 C ATOM 254 C LEU A 170 0.017 6.140 1.481 1.00 0.26 C ATOM 255 O LEU A 170 -1.115 5.688 1.651 1.00 0.27 O ATOM 256 CB LEU A 170 1.356 7.335 3.222 1.00 0.42 C ATOM 257 CG LEU A 170 2.282 7.283 4.438 1.00 0.52 C ATOM 258 CD1 LEU A 170 2.493 8.677 5.009 1.00 0.63 C ATOM 259 CD2 LEU A 170 1.715 6.351 5.500 1.00 0.60 C ATOM 0 H LEU A 170 3.148 6.024 2.157 1.00 0.31 H new ATOM 0 HA LEU A 170 0.730 5.280 3.303 1.00 0.33 H new ATOM 0 HB2 LEU A 170 1.788 8.010 2.483 1.00 0.42 H new ATOM 0 HB3 LEU A 170 0.403 7.766 3.528 1.00 0.42 H new ATOM 0 HG LEU A 170 3.248 6.893 4.118 1.00 0.52 H new ATOM 0 HD11 LEU A 170 3.154 8.620 5.873 1.00 0.63 H new ATOM 0 HD12 LEU A 170 2.943 9.317 4.250 1.00 0.63 H new ATOM 0 HD13 LEU A 170 1.533 9.095 5.314 1.00 0.63 H new ATOM 0 HD21 LEU A 170 2.387 6.326 6.358 1.00 0.60 H new ATOM 0 HD22 LEU A 170 0.736 6.712 5.816 1.00 0.60 H new ATOM 0 HD23 LEU A 170 1.616 5.347 5.087 1.00 0.60 H new ATOM 271 N LEU A 171 0.380 6.785 0.377 1.00 0.23 N ATOM 272 CA LEU A 171 -0.549 7.002 -0.725 1.00 0.22 C ATOM 273 C LEU A 171 -1.107 5.680 -1.243 1.00 0.18 C ATOM 274 O LEU A 171 -2.310 5.552 -1.469 1.00 0.21 O ATOM 275 CB LEU A 171 0.141 7.757 -1.863 1.00 0.26 C ATOM 276 CG LEU A 171 0.557 9.192 -1.530 1.00 0.33 C ATOM 277 CD1 LEU A 171 1.310 9.813 -2.697 1.00 0.39 C ATOM 278 CD2 LEU A 171 -0.663 10.031 -1.176 1.00 0.40 C ATOM 0 H LEU A 171 1.313 7.167 0.222 1.00 0.23 H new ATOM 0 HA LEU A 171 -1.378 7.601 -0.349 1.00 0.22 H new ATOM 0 HB2 LEU A 171 1.027 7.199 -2.164 1.00 0.26 H new ATOM 0 HB3 LEU A 171 -0.529 7.779 -2.723 1.00 0.26 H new ATOM 0 HG LEU A 171 1.221 9.167 -0.666 1.00 0.33 H new ATOM 0 HD11 LEU A 171 1.598 10.833 -2.443 1.00 0.39 H new ATOM 0 HD12 LEU A 171 2.204 9.225 -2.907 1.00 0.39 H new ATOM 0 HD13 LEU A 171 0.669 9.826 -3.578 1.00 0.39 H new ATOM 0 HD21 LEU A 171 -0.349 11.048 -0.942 1.00 0.40 H new ATOM 0 HD22 LEU A 171 -1.350 10.049 -2.022 1.00 0.40 H new ATOM 0 HD23 LEU A 171 -1.164 9.598 -0.310 1.00 0.40 H new ATOM 290 N SER A 172 -0.230 4.700 -1.428 1.00 0.16 N ATOM 291 CA SER A 172 -0.648 3.393 -1.924 1.00 0.16 C ATOM 292 C SER A 172 -1.722 2.787 -1.028 1.00 0.15 C ATOM 293 O SER A 172 -2.791 2.398 -1.498 1.00 0.19 O ATOM 294 CB SER A 172 0.552 2.449 -2.003 1.00 0.19 C ATOM 295 OG SER A 172 1.481 2.884 -2.981 1.00 0.23 O ATOM 0 H SER A 172 0.770 4.784 -1.243 1.00 0.16 H new ATOM 0 HA SER A 172 -1.066 3.529 -2.922 1.00 0.16 H new ATOM 0 HB2 SER A 172 1.041 2.396 -1.030 1.00 0.19 H new ATOM 0 HB3 SER A 172 0.211 1.442 -2.244 1.00 0.19 H new ATOM 0 HG SER A 172 1.995 3.641 -2.630 1.00 0.23 H new ATOM 301 N HIS A 173 -1.431 2.713 0.267 1.00 0.13 N ATOM 302 CA HIS A 173 -2.371 2.157 1.233 1.00 0.17 C ATOM 303 C HIS A 173 -3.646 2.993 1.297 1.00 0.22 C ATOM 304 O HIS A 173 -4.751 2.470 1.164 1.00 0.27 O ATOM 305 CB HIS A 173 -1.724 2.078 2.618 1.00 0.20 C ATOM 306 CG HIS A 173 -0.552 1.147 2.681 1.00 0.20 C ATOM 307 ND1 HIS A 173 0.748 1.554 2.457 1.00 0.25 N ATOM 308 CD2 HIS A 173 -0.486 -0.180 2.946 1.00 0.25 C ATOM 309 CE1 HIS A 173 1.561 0.519 2.580 1.00 0.29 C ATOM 310 NE2 HIS A 173 0.837 -0.546 2.877 1.00 0.27 N ATOM 0 H HIS A 173 -0.551 3.032 0.672 1.00 0.13 H new ATOM 0 HA HIS A 173 -2.637 1.151 0.907 1.00 0.17 H new ATOM 0 HB2 HIS A 173 -1.401 3.075 2.916 1.00 0.20 H new ATOM 0 HB3 HIS A 173 -2.473 1.756 3.342 1.00 0.20 H new ATOM 0 HD1 HIS A 173 1.037 2.506 2.231 1.00 0.25 H new ATOM 0 HD2 HIS A 173 -1.319 -0.830 3.170 1.00 0.25 H new ATOM 0 HE1 HIS A 173 2.634 0.540 2.459 1.00 0.29 H new ATOM 319 N LEU A 174 -3.484 4.297 1.496 1.00 0.23 N ATOM 320 CA LEU A 174 -4.621 5.207 1.585 1.00 0.29 C ATOM 321 C LEU A 174 -5.462 5.163 0.313 1.00 0.29 C ATOM 322 O LEU A 174 -6.678 4.975 0.368 1.00 0.34 O ATOM 323 CB LEU A 174 -4.138 6.636 1.841 1.00 0.32 C ATOM 324 CG LEU A 174 -3.459 6.854 3.193 1.00 0.36 C ATOM 325 CD1 LEU A 174 -3.049 8.309 3.357 1.00 0.41 C ATOM 326 CD2 LEU A 174 -4.381 6.426 4.325 1.00 0.47 C ATOM 0 H LEU A 174 -2.575 4.748 1.599 1.00 0.23 H new ATOM 0 HA LEU A 174 -5.244 4.884 2.419 1.00 0.29 H new ATOM 0 HB2 LEU A 174 -3.440 6.915 1.051 1.00 0.32 H new ATOM 0 HB3 LEU A 174 -4.991 7.311 1.766 1.00 0.32 H new ATOM 0 HG LEU A 174 -2.559 6.240 3.231 1.00 0.36 H new ATOM 0 HD11 LEU A 174 -2.567 8.444 4.325 1.00 0.41 H new ATOM 0 HD12 LEU A 174 -2.353 8.582 2.564 1.00 0.41 H new ATOM 0 HD13 LEU A 174 -3.933 8.945 3.299 1.00 0.41 H new ATOM 0 HD21 LEU A 174 -3.883 6.588 5.281 1.00 0.47 H new ATOM 0 HD22 LEU A 174 -5.298 7.014 4.290 1.00 0.47 H new ATOM 0 HD23 LEU A 174 -4.624 5.369 4.217 1.00 0.47 H new ATOM 338 N LEU A 175 -4.810 5.338 -0.831 1.00 0.26 N ATOM 339 CA LEU A 175 -5.500 5.315 -2.114 1.00 0.28 C ATOM 340 C LEU A 175 -6.198 3.977 -2.329 1.00 0.27 C ATOM 341 O LEU A 175 -7.364 3.930 -2.722 1.00 0.29 O ATOM 342 CB LEU A 175 -4.516 5.586 -3.253 1.00 0.30 C ATOM 343 CG LEU A 175 -3.950 7.005 -3.296 1.00 0.33 C ATOM 344 CD1 LEU A 175 -2.974 7.157 -4.453 1.00 0.37 C ATOM 345 CD2 LEU A 175 -5.074 8.024 -3.409 1.00 0.41 C ATOM 0 H LEU A 175 -3.805 5.497 -0.895 1.00 0.26 H new ATOM 0 HA LEU A 175 -6.256 6.100 -2.108 1.00 0.28 H new ATOM 0 HB2 LEU A 175 -3.687 4.883 -3.171 1.00 0.30 H new ATOM 0 HB3 LEU A 175 -5.015 5.382 -4.200 1.00 0.30 H new ATOM 0 HG LEU A 175 -3.411 7.188 -2.366 1.00 0.33 H new ATOM 0 HD11 LEU A 175 -2.582 8.174 -4.467 1.00 0.37 H new ATOM 0 HD12 LEU A 175 -2.151 6.452 -4.330 1.00 0.37 H new ATOM 0 HD13 LEU A 175 -3.489 6.954 -5.392 1.00 0.37 H new ATOM 0 HD21 LEU A 175 -4.653 9.029 -3.438 1.00 0.41 H new ATOM 0 HD22 LEU A 175 -5.640 7.841 -4.322 1.00 0.41 H new ATOM 0 HD23 LEU A 175 -5.736 7.933 -2.547 1.00 0.41 H new ATOM 357 N ALA A 176 -5.478 2.889 -2.069 1.00 0.26 N ATOM 358 CA ALA A 176 -6.035 1.551 -2.231 1.00 0.27 C ATOM 359 C ALA A 176 -7.344 1.412 -1.458 1.00 0.26 C ATOM 360 O ALA A 176 -8.366 1.001 -2.013 1.00 0.27 O ATOM 361 CB ALA A 176 -5.029 0.504 -1.777 1.00 0.27 C ATOM 0 H ALA A 176 -4.511 2.908 -1.746 1.00 0.26 H new ATOM 0 HA ALA A 176 -6.249 1.392 -3.288 1.00 0.27 H new ATOM 0 HB1 ALA A 176 -5.457 -0.491 -1.903 1.00 0.27 H new ATOM 0 HB2 ALA A 176 -4.122 0.587 -2.376 1.00 0.27 H new ATOM 0 HB3 ALA A 176 -4.786 0.664 -0.726 1.00 0.27 H new ATOM 367 N ILE A 177 -7.309 1.759 -0.174 1.00 0.27 N ATOM 368 CA ILE A 177 -8.497 1.685 0.669 1.00 0.28 C ATOM 369 C ILE A 177 -9.609 2.556 0.095 1.00 0.26 C ATOM 370 O ILE A 177 -10.774 2.160 0.075 1.00 0.26 O ATOM 371 CB ILE A 177 -8.193 2.129 2.116 1.00 0.31 C ATOM 372 CG1 ILE A 177 -7.121 1.231 2.734 1.00 0.36 C ATOM 373 CG2 ILE A 177 -9.458 2.106 2.962 1.00 0.33 C ATOM 374 CD1 ILE A 177 -6.654 1.700 4.094 1.00 0.62 C ATOM 0 H ILE A 177 -6.472 2.093 0.304 1.00 0.27 H new ATOM 0 HA ILE A 177 -8.820 0.644 0.689 1.00 0.28 H new ATOM 0 HB ILE A 177 -7.817 3.152 2.090 1.00 0.31 H new ATOM 0 HG12 ILE A 177 -7.513 0.218 2.822 1.00 0.36 H new ATOM 0 HG13 ILE A 177 -6.265 1.184 2.061 1.00 0.36 H new ATOM 0 HG21 ILE A 177 -9.222 2.422 3.978 1.00 0.33 H new ATOM 0 HG22 ILE A 177 -10.195 2.785 2.533 1.00 0.33 H new ATOM 0 HG23 ILE A 177 -9.864 1.095 2.982 1.00 0.33 H new ATOM 0 HD11 ILE A 177 -5.894 1.017 4.473 1.00 0.62 H new ATOM 0 HD12 ILE A 177 -6.232 2.701 4.008 1.00 0.62 H new ATOM 0 HD13 ILE A 177 -7.499 1.720 4.782 1.00 0.62 H new ATOM 386 N GLY A 178 -9.238 3.745 -0.372 1.00 0.26 N ATOM 387 CA GLY A 178 -10.213 4.651 -0.946 1.00 0.27 C ATOM 388 C GLY A 178 -11.047 3.980 -2.018 1.00 0.26 C ATOM 389 O GLY A 178 -12.271 4.117 -2.042 1.00 0.28 O ATOM 0 H GLY A 178 -8.280 4.095 -0.362 1.00 0.26 H new ATOM 0 HA2 GLY A 178 -10.867 5.026 -0.159 1.00 0.27 H new ATOM 0 HA3 GLY A 178 -9.700 5.513 -1.372 1.00 0.27 H new ATOM 393 N LEU A 179 -10.382 3.251 -2.911 1.00 0.25 N ATOM 394 CA LEU A 179 -11.069 2.548 -3.986 1.00 0.27 C ATOM 395 C LEU A 179 -12.024 1.507 -3.418 1.00 0.26 C ATOM 396 O LEU A 179 -13.185 1.429 -3.821 1.00 0.28 O ATOM 397 CB LEU A 179 -10.058 1.874 -4.917 1.00 0.33 C ATOM 398 CG LEU A 179 -8.983 2.801 -5.484 1.00 0.36 C ATOM 399 CD1 LEU A 179 -8.098 2.055 -6.470 1.00 0.43 C ATOM 400 CD2 LEU A 179 -9.622 4.011 -6.147 1.00 0.43 C ATOM 0 H LEU A 179 -9.369 3.133 -2.910 1.00 0.25 H new ATOM 0 HA LEU A 179 -11.643 3.277 -4.558 1.00 0.27 H new ATOM 0 HB2 LEU A 179 -9.569 1.066 -4.373 1.00 0.33 H new ATOM 0 HB3 LEU A 179 -10.598 1.419 -5.747 1.00 0.33 H new ATOM 0 HG LEU A 179 -8.358 3.149 -4.661 1.00 0.36 H new ATOM 0 HD11 LEU A 179 -7.339 2.732 -6.862 1.00 0.43 H new ATOM 0 HD12 LEU A 179 -7.613 1.220 -5.964 1.00 0.43 H new ATOM 0 HD13 LEU A 179 -8.707 1.677 -7.291 1.00 0.43 H new ATOM 0 HD21 LEU A 179 -8.843 4.661 -6.546 1.00 0.43 H new ATOM 0 HD22 LEU A 179 -10.270 3.681 -6.959 1.00 0.43 H new ATOM 0 HD23 LEU A 179 -10.212 4.559 -5.412 1.00 0.43 H new ATOM 412 N GLY A 180 -11.528 0.708 -2.478 1.00 0.25 N ATOM 413 CA GLY A 180 -12.356 -0.316 -1.868 1.00 0.27 C ATOM 414 C GLY A 180 -13.632 0.252 -1.277 1.00 0.26 C ATOM 415 O GLY A 180 -14.728 -0.220 -1.579 1.00 0.29 O ATOM 0 H GLY A 180 -10.571 0.751 -2.129 1.00 0.25 H new ATOM 0 HA2 GLY A 180 -12.608 -1.069 -2.615 1.00 0.27 H new ATOM 0 HA3 GLY A 180 -11.789 -0.820 -1.086 1.00 0.27 H new ATOM 419 N ILE A 181 -13.490 1.273 -0.437 1.00 0.28 N ATOM 420 CA ILE A 181 -14.641 1.907 0.196 1.00 0.34 C ATOM 421 C ILE A 181 -15.589 2.490 -0.847 1.00 0.32 C ATOM 422 O ILE A 181 -16.806 2.347 -0.742 1.00 0.36 O ATOM 423 CB ILE A 181 -14.205 3.024 1.164 1.00 0.42 C ATOM 424 CG1 ILE A 181 -13.239 2.470 2.213 1.00 0.49 C ATOM 425 CG2 ILE A 181 -15.420 3.649 1.833 1.00 0.49 C ATOM 426 CD1 ILE A 181 -12.803 3.497 3.236 1.00 0.89 C ATOM 0 H ILE A 181 -12.590 1.678 -0.179 1.00 0.28 H new ATOM 0 HA ILE A 181 -15.160 1.132 0.760 1.00 0.34 H new ATOM 0 HB ILE A 181 -13.690 3.798 0.595 1.00 0.42 H new ATOM 0 HG12 ILE A 181 -13.714 1.635 2.728 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -12.357 2.073 1.710 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -15.096 4.436 2.514 1.00 0.49 H new ATOM 0 HG22 ILE A 181 -16.076 4.074 1.073 1.00 0.49 H new ATOM 0 HG23 ILE A 181 -15.960 2.885 2.392 1.00 0.49 H new ATOM 0 HD11 ILE A 181 -12.119 3.034 3.948 1.00 0.89 H new ATOM 0 HD12 ILE A 181 -12.298 4.321 2.732 1.00 0.89 H new ATOM 0 HD13 ILE A 181 -13.677 3.876 3.766 1.00 0.89 H new ATOM 438 N TYR A 182 -15.021 3.147 -1.851 1.00 0.31 N ATOM 439 CA TYR A 182 -15.814 3.747 -2.919 1.00 0.35 C ATOM 440 C TYR A 182 -16.745 2.712 -3.545 1.00 0.36 C ATOM 441 O TYR A 182 -17.937 2.962 -3.727 1.00 0.42 O ATOM 442 CB TYR A 182 -14.893 4.345 -3.984 1.00 0.39 C ATOM 443 CG TYR A 182 -15.617 4.819 -5.224 1.00 0.51 C ATOM 444 CD1 TYR A 182 -16.287 6.037 -5.240 1.00 1.19 C ATOM 445 CD2 TYR A 182 -15.627 4.050 -6.380 1.00 1.43 C ATOM 446 CE1 TYR A 182 -16.946 6.473 -6.373 1.00 1.21 C ATOM 447 CE2 TYR A 182 -16.285 4.479 -7.517 1.00 1.56 C ATOM 448 CZ TYR A 182 -16.942 5.691 -7.508 1.00 0.81 C ATOM 449 OH TYR A 182 -17.596 6.121 -8.640 1.00 0.98 O ATOM 0 H TYR A 182 -14.014 3.278 -1.949 1.00 0.31 H new ATOM 0 HA TYR A 182 -16.424 4.543 -2.492 1.00 0.35 H new ATOM 0 HB2 TYR A 182 -14.349 5.184 -3.550 1.00 0.39 H new ATOM 0 HB3 TYR A 182 -14.152 3.598 -4.271 1.00 0.39 H new ATOM 0 HD1 TYR A 182 -16.292 6.652 -4.352 1.00 1.19 H new ATOM 0 HD2 TYR A 182 -15.112 3.101 -6.391 1.00 1.43 H new ATOM 0 HE1 TYR A 182 -17.462 7.422 -6.370 1.00 1.21 H new ATOM 0 HE2 TYR A 182 -16.285 3.868 -8.408 1.00 1.56 H new ATOM 0 HH TYR A 182 -17.495 5.453 -9.350 1.00 0.98 H new ATOM 459 N ILE A 183 -16.190 1.551 -3.875 1.00 0.35 N ATOM 460 CA ILE A 183 -16.965 0.473 -4.475 1.00 0.43 C ATOM 461 C ILE A 183 -18.059 -0.012 -3.526 1.00 0.45 C ATOM 462 O ILE A 183 -19.187 -0.279 -3.942 1.00 0.55 O ATOM 463 CB ILE A 183 -16.064 -0.718 -4.857 1.00 0.48 C ATOM 464 CG1 ILE A 183 -14.961 -0.266 -5.816 1.00 0.54 C ATOM 465 CG2 ILE A 183 -16.888 -1.833 -5.483 1.00 0.56 C ATOM 466 CD1 ILE A 183 -13.932 -1.338 -6.102 1.00 0.83 C ATOM 0 H ILE A 183 -15.203 1.333 -3.736 1.00 0.35 H new ATOM 0 HA ILE A 183 -17.425 0.876 -5.378 1.00 0.43 H new ATOM 0 HB ILE A 183 -15.599 -1.103 -3.949 1.00 0.48 H new ATOM 0 HG12 ILE A 183 -15.415 0.051 -6.755 1.00 0.54 H new ATOM 0 HG13 ILE A 183 -14.459 0.605 -5.395 1.00 0.54 H new ATOM 0 HG21 ILE A 183 -16.234 -2.665 -5.746 1.00 0.56 H new ATOM 0 HG22 ILE A 183 -17.640 -2.173 -4.771 1.00 0.56 H new ATOM 0 HG23 ILE A 183 -17.381 -1.461 -6.381 1.00 0.56 H new ATOM 0 HD11 ILE A 183 -13.181 -0.947 -6.789 1.00 0.83 H new ATOM 0 HD12 ILE A 183 -13.451 -1.638 -5.171 1.00 0.83 H new ATOM 0 HD13 ILE A 183 -14.422 -2.201 -6.553 1.00 0.83 H new ATOM 478 N GLY A 184 -17.713 -0.129 -2.248 1.00 0.40 N ATOM 479 CA GLY A 184 -18.666 -0.589 -1.255 1.00 0.46 C ATOM 480 C GLY A 184 -19.866 0.328 -1.108 1.00 0.52 C ATOM 481 O GLY A 184 -21.001 -0.139 -1.026 1.00 0.64 O ATOM 0 H GLY A 184 -16.786 0.087 -1.882 1.00 0.40 H new ATOM 0 HA2 GLY A 184 -19.011 -1.587 -1.526 1.00 0.46 H new ATOM 0 HA3 GLY A 184 -18.163 -0.676 -0.292 1.00 0.46 H new ATOM 485 N ARG A 185 -19.622 1.632 -1.067 1.00 0.48 N ATOM 486 CA ARG A 185 -20.701 2.603 -0.916 1.00 0.59 C ATOM 487 C ARG A 185 -21.674 2.549 -2.092 1.00 0.67 C ATOM 488 O ARG A 185 -22.885 2.668 -1.907 1.00 0.83 O ATOM 489 CB ARG A 185 -20.133 4.016 -0.770 1.00 0.59 C ATOM 490 CG ARG A 185 -19.262 4.448 -1.931 1.00 0.51 C ATOM 491 CD ARG A 185 -19.063 5.956 -1.945 1.00 0.85 C ATOM 492 NE ARG A 185 -18.433 6.437 -0.719 1.00 1.32 N ATOM 493 CZ ARG A 185 -18.319 7.723 -0.404 1.00 1.98 C ATOM 494 NH1 ARG A 185 -18.785 8.653 -1.227 1.00 2.27 N ATOM 495 NH2 ARG A 185 -17.740 8.080 0.734 1.00 2.54 N ATOM 0 H ARG A 185 -18.690 2.042 -1.136 1.00 0.48 H new ATOM 0 HA ARG A 185 -21.251 2.344 -0.012 1.00 0.59 H new ATOM 0 HB2 ARG A 185 -20.958 4.720 -0.666 1.00 0.59 H new ATOM 0 HB3 ARG A 185 -19.550 4.070 0.149 1.00 0.59 H new ATOM 0 HG2 ARG A 185 -18.293 3.952 -1.865 1.00 0.51 H new ATOM 0 HG3 ARG A 185 -19.719 4.131 -2.868 1.00 0.51 H new ATOM 0 HD2 ARG A 185 -18.448 6.232 -2.801 1.00 0.85 H new ATOM 0 HD3 ARG A 185 -20.027 6.448 -2.074 1.00 0.85 H new ATOM 0 HE ARG A 185 -18.059 5.747 -0.067 1.00 1.32 H new ATOM 0 HH11 ARG A 185 -19.232 8.381 -2.103 1.00 2.27 H new ATOM 0 HH12 ARG A 185 -18.697 9.640 -0.984 1.00 2.27 H new ATOM 0 HH21 ARG A 185 -17.381 7.367 1.369 1.00 2.54 H new ATOM 0 HH22 ARG A 185 -17.653 9.068 0.974 1.00 2.54 H new ATOM 509 N ARG A 186 -21.145 2.367 -3.298 1.00 0.63 N ATOM 510 CA ARG A 186 -21.981 2.309 -4.493 1.00 0.74 C ATOM 511 C ARG A 186 -22.820 1.032 -4.533 1.00 0.85 C ATOM 512 O ARG A 186 -23.795 0.949 -5.281 1.00 1.06 O ATOM 513 CB ARG A 186 -21.125 2.404 -5.758 1.00 0.80 C ATOM 514 CG ARG A 186 -20.203 1.215 -5.963 1.00 1.24 C ATOM 515 CD ARG A 186 -19.813 1.065 -7.424 1.00 1.58 C ATOM 516 NE ARG A 186 -20.980 0.880 -8.281 1.00 2.38 N ATOM 517 CZ ARG A 186 -20.919 0.801 -9.607 1.00 2.95 C ATOM 518 NH1 ARG A 186 -19.749 0.894 -10.225 1.00 2.93 N ATOM 519 NH2 ARG A 186 -22.028 0.630 -10.314 1.00 3.95 N ATOM 0 H ARG A 186 -20.146 2.258 -3.474 1.00 0.63 H new ATOM 0 HA ARG A 186 -22.659 3.162 -4.453 1.00 0.74 H new ATOM 0 HB2 ARG A 186 -21.781 2.497 -6.624 1.00 0.80 H new ATOM 0 HB3 ARG A 186 -20.526 3.313 -5.713 1.00 0.80 H new ATOM 0 HG2 ARG A 186 -19.306 1.338 -5.356 1.00 1.24 H new ATOM 0 HG3 ARG A 186 -20.697 0.306 -5.621 1.00 1.24 H new ATOM 0 HD2 ARG A 186 -19.262 1.949 -7.746 1.00 1.58 H new ATOM 0 HD3 ARG A 186 -19.142 0.213 -7.535 1.00 1.58 H new ATOM 0 HE ARG A 186 -21.895 0.807 -7.837 1.00 2.38 H new ATOM 0 HH11 ARG A 186 -18.895 1.026 -9.683 1.00 2.93 H new ATOM 0 HH12 ARG A 186 -19.703 0.833 -11.242 1.00 2.93 H new ATOM 0 HH21 ARG A 186 -22.929 0.559 -9.841 1.00 3.95 H new ATOM 0 HH22 ARG A 186 -21.980 0.570 -11.331 1.00 3.95 H new ATOM 775 N PRO B 167 7.358 -7.547 -2.463 1.00 0.73 N ATOM 776 CA PRO B 167 6.420 -8.551 -1.963 1.00 0.63 C ATOM 777 C PRO B 167 5.436 -7.991 -0.941 1.00 0.56 C ATOM 778 O PRO B 167 4.222 -8.093 -1.115 1.00 0.69 O ATOM 779 CB PRO B 167 7.322 -9.606 -1.307 1.00 0.87 C ATOM 780 CG PRO B 167 8.738 -9.211 -1.607 1.00 1.07 C ATOM 781 CD PRO B 167 8.694 -8.115 -2.636 1.00 0.96 C ATOM 0 HA PRO B 167 5.798 -8.942 -2.768 1.00 0.63 H new ATOM 0 HB2 PRO B 167 7.151 -9.646 -0.231 1.00 0.87 H new ATOM 0 HB3 PRO B 167 7.106 -10.599 -1.701 1.00 0.87 H new ATOM 0 HG2 PRO B 167 9.240 -8.868 -0.702 1.00 1.07 H new ATOM 0 HG3 PRO B 167 9.303 -10.065 -1.980 1.00 1.07 H new ATOM 0 HD2 PRO B 167 9.473 -7.371 -2.466 1.00 0.96 H new ATOM 0 HD3 PRO B 167 8.839 -8.503 -3.644 1.00 0.96 H new ATOM 789 N SER B 168 5.967 -7.398 0.121 1.00 0.55 N ATOM 790 CA SER B 168 5.137 -6.829 1.176 1.00 0.55 C ATOM 791 C SER B 168 4.223 -5.729 0.641 1.00 0.44 C ATOM 792 O SER B 168 3.037 -5.683 0.967 1.00 0.41 O ATOM 793 CB SER B 168 6.017 -6.272 2.296 1.00 0.72 C ATOM 794 OG SER B 168 6.832 -7.287 2.857 1.00 1.59 O ATOM 0 H SER B 168 6.970 -7.298 0.275 1.00 0.55 H new ATOM 0 HA SER B 168 4.509 -7.628 1.569 1.00 0.55 H new ATOM 0 HB2 SER B 168 6.645 -5.471 1.905 1.00 0.72 H new ATOM 0 HB3 SER B 168 5.389 -5.835 3.072 1.00 0.72 H new ATOM 0 HG SER B 168 7.386 -6.905 3.569 1.00 1.59 H new ATOM 800 N LEU B 169 4.779 -4.845 -0.182 1.00 0.46 N ATOM 801 CA LEU B 169 4.011 -3.739 -0.748 1.00 0.45 C ATOM 802 C LEU B 169 2.872 -4.224 -1.641 1.00 0.33 C ATOM 803 O LEU B 169 1.734 -3.776 -1.493 1.00 0.31 O ATOM 804 CB LEU B 169 4.923 -2.777 -1.505 1.00 0.60 C ATOM 805 CG LEU B 169 5.792 -1.883 -0.616 1.00 0.77 C ATOM 806 CD1 LEU B 169 6.983 -2.644 -0.062 1.00 1.09 C ATOM 807 CD2 LEU B 169 6.255 -0.667 -1.387 1.00 0.77 C ATOM 0 H LEU B 169 5.757 -4.872 -0.472 1.00 0.46 H new ATOM 0 HA LEU B 169 3.557 -3.204 0.086 1.00 0.45 H new ATOM 0 HB2 LEU B 169 5.574 -3.355 -2.161 1.00 0.60 H new ATOM 0 HB3 LEU B 169 4.309 -2.143 -2.144 1.00 0.60 H new ATOM 0 HG LEU B 169 5.184 -1.556 0.227 1.00 0.77 H new ATOM 0 HD11 LEU B 169 7.579 -1.981 0.565 1.00 1.09 H new ATOM 0 HD12 LEU B 169 6.631 -3.487 0.533 1.00 1.09 H new ATOM 0 HD13 LEU B 169 7.595 -3.012 -0.886 1.00 1.09 H new ATOM 0 HD21 LEU B 169 6.872 -0.041 -0.742 1.00 0.77 H new ATOM 0 HD22 LEU B 169 6.839 -0.985 -2.251 1.00 0.77 H new ATOM 0 HD23 LEU B 169 5.388 -0.098 -1.724 1.00 0.77 H new ATOM 819 N LEU B 170 3.165 -5.135 -2.567 1.00 0.34 N ATOM 820 CA LEU B 170 2.130 -5.653 -3.460 1.00 0.36 C ATOM 821 C LEU B 170 0.929 -6.150 -2.661 1.00 0.28 C ATOM 822 O LEU B 170 -0.212 -5.781 -2.943 1.00 0.32 O ATOM 823 CB LEU B 170 2.668 -6.778 -4.353 1.00 0.47 C ATOM 824 CG LEU B 170 3.581 -6.331 -5.501 1.00 0.59 C ATOM 825 CD1 LEU B 170 4.963 -5.968 -4.991 1.00 0.60 C ATOM 826 CD2 LEU B 170 3.674 -7.420 -6.560 1.00 0.72 C ATOM 0 H LEU B 170 4.095 -5.525 -2.718 1.00 0.34 H new ATOM 0 HA LEU B 170 1.814 -4.832 -4.103 1.00 0.36 H new ATOM 0 HB2 LEU B 170 3.217 -7.482 -3.728 1.00 0.47 H new ATOM 0 HB3 LEU B 170 1.821 -7.319 -4.775 1.00 0.47 H new ATOM 0 HG LEU B 170 3.144 -5.440 -5.952 1.00 0.59 H new ATOM 0 HD11 LEU B 170 5.589 -5.655 -5.827 1.00 0.60 H new ATOM 0 HD12 LEU B 170 4.883 -5.153 -4.272 1.00 0.60 H new ATOM 0 HD13 LEU B 170 5.412 -6.836 -4.507 1.00 0.60 H new ATOM 0 HD21 LEU B 170 4.326 -7.087 -7.368 1.00 0.72 H new ATOM 0 HD22 LEU B 170 4.083 -8.327 -6.114 1.00 0.72 H new ATOM 0 HD23 LEU B 170 2.680 -7.627 -6.957 1.00 0.72 H new ATOM 838 N LEU B 171 1.192 -6.984 -1.662 1.00 0.24 N ATOM 839 CA LEU B 171 0.130 -7.520 -0.822 1.00 0.26 C ATOM 840 C LEU B 171 -0.655 -6.386 -0.165 1.00 0.23 C ATOM 841 O LEU B 171 -1.882 -6.436 -0.082 1.00 0.29 O ATOM 842 CB LEU B 171 0.709 -8.450 0.247 1.00 0.32 C ATOM 843 CG LEU B 171 1.433 -9.684 -0.292 1.00 0.38 C ATOM 844 CD1 LEU B 171 1.967 -10.532 0.853 1.00 0.47 C ATOM 845 CD2 LEU B 171 0.506 -10.505 -1.176 1.00 0.50 C ATOM 0 H LEU B 171 2.129 -7.303 -1.415 1.00 0.24 H new ATOM 0 HA LEU B 171 -0.549 -8.095 -1.452 1.00 0.26 H new ATOM 0 HB2 LEU B 171 1.404 -7.881 0.864 1.00 0.32 H new ATOM 0 HB3 LEU B 171 -0.101 -8.778 0.898 1.00 0.32 H new ATOM 0 HG LEU B 171 2.277 -9.350 -0.896 1.00 0.38 H new ATOM 0 HD11 LEU B 171 2.479 -11.406 0.450 1.00 0.47 H new ATOM 0 HD12 LEU B 171 2.666 -9.943 1.447 1.00 0.47 H new ATOM 0 HD13 LEU B 171 1.139 -10.855 1.483 1.00 0.47 H new ATOM 0 HD21 LEU B 171 1.039 -11.379 -1.550 1.00 0.50 H new ATOM 0 HD22 LEU B 171 -0.358 -10.828 -0.596 1.00 0.50 H new ATOM 0 HD23 LEU B 171 0.172 -9.897 -2.017 1.00 0.50 H new ATOM 857 N SER B 172 0.062 -5.366 0.299 1.00 0.18 N ATOM 858 CA SER B 172 -0.571 -4.219 0.942 1.00 0.19 C ATOM 859 C SER B 172 -1.638 -3.615 0.038 1.00 0.14 C ATOM 860 O SER B 172 -2.744 -3.309 0.484 1.00 0.18 O ATOM 861 CB SER B 172 0.471 -3.154 1.291 1.00 0.23 C ATOM 862 OG SER B 172 1.348 -3.606 2.309 1.00 0.31 O ATOM 0 H SER B 172 1.079 -5.311 0.242 1.00 0.18 H new ATOM 0 HA SER B 172 -1.043 -4.568 1.860 1.00 0.19 H new ATOM 0 HB2 SER B 172 1.045 -2.898 0.400 1.00 0.23 H new ATOM 0 HB3 SER B 172 -0.032 -2.244 1.619 1.00 0.23 H new ATOM 0 HG SER B 172 1.941 -4.297 1.947 1.00 0.31 H new ATOM 868 N HIS B 173 -1.298 -3.439 -1.234 1.00 0.12 N ATOM 869 CA HIS B 173 -2.228 -2.872 -2.203 1.00 0.15 C ATOM 870 C HIS B 173 -3.481 -3.732 -2.322 1.00 0.20 C ATOM 871 O HIS B 173 -4.600 -3.234 -2.201 1.00 0.25 O ATOM 872 CB HIS B 173 -1.552 -2.745 -3.568 1.00 0.19 C ATOM 873 CG HIS B 173 -0.374 -1.823 -3.570 1.00 0.21 C ATOM 874 ND1 HIS B 173 0.918 -2.250 -3.341 1.00 0.26 N ATOM 875 CD2 HIS B 173 -0.295 -0.487 -3.776 1.00 0.25 C ATOM 876 CE1 HIS B 173 1.740 -1.217 -3.405 1.00 0.30 C ATOM 877 NE2 HIS B 173 1.029 -0.136 -3.669 1.00 0.28 N ATOM 0 H HIS B 173 -0.385 -3.681 -1.618 1.00 0.12 H new ATOM 0 HA HIS B 173 -2.522 -1.882 -1.854 1.00 0.15 H new ATOM 0 HB2 HIS B 173 -1.230 -3.733 -3.898 1.00 0.19 H new ATOM 0 HB3 HIS B 173 -2.283 -2.389 -4.294 1.00 0.19 H new ATOM 0 HD1 HIS B 173 1.196 -3.213 -3.152 1.00 0.26 H new ATOM 0 HD2 HIS B 173 -1.119 0.179 -3.985 1.00 0.25 H new ATOM 0 HE1 HIS B 173 2.810 -1.251 -3.265 1.00 0.30 H new ATOM 0 HE2 HIS B 173 1.402 0.807 -3.776 1.00 0.28 H new ATOM 886 N LEU B 174 -3.287 -5.026 -2.557 1.00 0.21 N ATOM 887 CA LEU B 174 -4.408 -5.949 -2.689 1.00 0.28 C ATOM 888 C LEU B 174 -5.274 -5.928 -1.435 1.00 0.28 C ATOM 889 O LEU B 174 -6.489 -5.742 -1.509 1.00 0.31 O ATOM 890 CB LEU B 174 -3.899 -7.369 -2.945 1.00 0.32 C ATOM 891 CG LEU B 174 -3.007 -7.526 -4.177 1.00 0.34 C ATOM 892 CD1 LEU B 174 -2.535 -8.965 -4.315 1.00 0.40 C ATOM 893 CD2 LEU B 174 -3.748 -7.083 -5.428 1.00 0.44 C ATOM 0 H LEU B 174 -2.368 -5.457 -2.659 1.00 0.21 H new ATOM 0 HA LEU B 174 -5.014 -5.629 -3.537 1.00 0.28 H new ATOM 0 HB2 LEU B 174 -3.344 -7.703 -2.069 1.00 0.32 H new ATOM 0 HB3 LEU B 174 -4.757 -8.033 -3.050 1.00 0.32 H new ATOM 0 HG LEU B 174 -2.131 -6.890 -4.052 1.00 0.34 H new ATOM 0 HD11 LEU B 174 -1.902 -9.057 -5.197 1.00 0.40 H new ATOM 0 HD12 LEU B 174 -1.967 -9.248 -3.429 1.00 0.40 H new ATOM 0 HD13 LEU B 174 -3.398 -9.623 -4.418 1.00 0.40 H new ATOM 0 HD21 LEU B 174 -3.099 -7.201 -6.296 1.00 0.44 H new ATOM 0 HD22 LEU B 174 -4.642 -7.694 -5.557 1.00 0.44 H new ATOM 0 HD23 LEU B 174 -4.035 -6.036 -5.329 1.00 0.44 H new ATOM 905 N LEU B 175 -4.640 -6.120 -0.284 1.00 0.27 N ATOM 906 CA LEU B 175 -5.347 -6.120 0.991 1.00 0.30 C ATOM 907 C LEU B 175 -5.986 -4.760 1.258 1.00 0.27 C ATOM 908 O LEU B 175 -7.125 -4.677 1.718 1.00 0.28 O ATOM 909 CB LEU B 175 -4.387 -6.476 2.128 1.00 0.33 C ATOM 910 CG LEU B 175 -3.689 -7.830 1.991 1.00 0.38 C ATOM 911 CD1 LEU B 175 -2.713 -8.045 3.138 1.00 0.43 C ATOM 912 CD2 LEU B 175 -4.711 -8.955 1.940 1.00 0.46 C ATOM 0 H LEU B 175 -3.635 -6.278 -0.208 1.00 0.27 H new ATOM 0 HA LEU B 175 -6.137 -6.870 0.941 1.00 0.30 H new ATOM 0 HB2 LEU B 175 -3.626 -5.698 2.197 1.00 0.33 H new ATOM 0 HB3 LEU B 175 -4.941 -6.464 3.067 1.00 0.33 H new ATOM 0 HG LEU B 175 -3.127 -7.835 1.057 1.00 0.38 H new ATOM 0 HD11 LEU B 175 -2.226 -9.013 3.024 1.00 0.43 H new ATOM 0 HD12 LEU B 175 -1.960 -7.256 3.128 1.00 0.43 H new ATOM 0 HD13 LEU B 175 -3.253 -8.019 4.085 1.00 0.43 H new ATOM 0 HD21 LEU B 175 -4.196 -9.911 1.842 1.00 0.46 H new ATOM 0 HD22 LEU B 175 -5.301 -8.953 2.857 1.00 0.46 H new ATOM 0 HD23 LEU B 175 -5.370 -8.809 1.084 1.00 0.46 H new ATOM 924 N ALA B 176 -5.243 -3.697 0.965 1.00 0.25 N ATOM 925 CA ALA B 176 -5.727 -2.339 1.175 1.00 0.23 C ATOM 926 C ALA B 176 -7.087 -2.127 0.520 1.00 0.20 C ATOM 927 O ALA B 176 -8.033 -1.671 1.162 1.00 0.20 O ATOM 928 CB ALA B 176 -4.720 -1.332 0.642 1.00 0.24 C ATOM 0 H ALA B 176 -4.300 -3.752 0.580 1.00 0.25 H new ATOM 0 HA ALA B 176 -5.846 -2.187 2.248 1.00 0.23 H new ATOM 0 HB1 ALA B 176 -5.095 -0.322 0.805 1.00 0.24 H new ATOM 0 HB2 ALA B 176 -3.771 -1.456 1.163 1.00 0.24 H new ATOM 0 HB3 ALA B 176 -4.572 -1.496 -0.425 1.00 0.24 H new ATOM 934 N ILE B 177 -7.180 -2.459 -0.764 1.00 0.20 N ATOM 935 CA ILE B 177 -8.427 -2.304 -1.502 1.00 0.20 C ATOM 936 C ILE B 177 -9.529 -3.169 -0.902 1.00 0.20 C ATOM 937 O ILE B 177 -10.656 -2.713 -0.712 1.00 0.20 O ATOM 938 CB ILE B 177 -8.251 -2.668 -2.988 1.00 0.24 C ATOM 939 CG1 ILE B 177 -7.122 -1.844 -3.608 1.00 0.25 C ATOM 940 CG2 ILE B 177 -9.550 -2.444 -3.746 1.00 0.26 C ATOM 941 CD1 ILE B 177 -6.873 -2.158 -5.067 1.00 0.31 C ATOM 0 H ILE B 177 -6.408 -2.836 -1.313 1.00 0.20 H new ATOM 0 HA ILE B 177 -8.712 -1.254 -1.427 1.00 0.20 H new ATOM 0 HB ILE B 177 -7.988 -3.723 -3.058 1.00 0.24 H new ATOM 0 HG12 ILE B 177 -7.360 -0.785 -3.508 1.00 0.25 H new ATOM 0 HG13 ILE B 177 -6.205 -2.019 -3.046 1.00 0.25 H new ATOM 0 HG21 ILE B 177 -9.409 -2.706 -4.795 1.00 0.26 H new ATOM 0 HG22 ILE B 177 -10.333 -3.069 -3.318 1.00 0.26 H new ATOM 0 HG23 ILE B 177 -9.840 -1.396 -3.669 1.00 0.26 H new ATOM 0 HD11 ILE B 177 -6.059 -1.536 -5.439 1.00 0.31 H new ATOM 0 HD12 ILE B 177 -6.604 -3.209 -5.172 1.00 0.31 H new ATOM 0 HD13 ILE B 177 -7.777 -1.956 -5.642 1.00 0.31 H new ATOM 953 N GLY B 178 -9.196 -4.422 -0.605 1.00 0.23 N ATOM 954 CA GLY B 178 -10.170 -5.326 -0.023 1.00 0.26 C ATOM 955 C GLY B 178 -10.793 -4.759 1.237 1.00 0.24 C ATOM 956 O GLY B 178 -12.018 -4.720 1.370 1.00 0.26 O ATOM 0 H GLY B 178 -8.272 -4.826 -0.757 1.00 0.23 H new ATOM 0 HA2 GLY B 178 -10.953 -5.533 -0.752 1.00 0.26 H new ATOM 0 HA3 GLY B 178 -9.689 -6.277 0.207 1.00 0.26 H new ATOM 960 N LEU B 179 -9.950 -4.318 2.164 1.00 0.25 N ATOM 961 CA LEU B 179 -10.430 -3.743 3.413 1.00 0.28 C ATOM 962 C LEU B 179 -11.400 -2.604 3.133 1.00 0.25 C ATOM 963 O LEU B 179 -12.483 -2.542 3.714 1.00 0.29 O ATOM 964 CB LEU B 179 -9.260 -3.238 4.257 1.00 0.33 C ATOM 965 CG LEU B 179 -8.341 -4.328 4.808 1.00 0.39 C ATOM 966 CD1 LEU B 179 -7.145 -3.710 5.516 1.00 0.47 C ATOM 967 CD2 LEU B 179 -9.109 -5.242 5.751 1.00 0.43 C ATOM 0 H LEU B 179 -8.934 -4.348 2.074 1.00 0.25 H new ATOM 0 HA LEU B 179 -10.951 -4.522 3.970 1.00 0.28 H new ATOM 0 HB2 LEU B 179 -8.665 -2.554 3.653 1.00 0.33 H new ATOM 0 HB3 LEU B 179 -9.657 -2.662 5.093 1.00 0.33 H new ATOM 0 HG LEU B 179 -7.973 -4.925 3.974 1.00 0.39 H new ATOM 0 HD11 LEU B 179 -6.502 -4.501 5.902 1.00 0.47 H new ATOM 0 HD12 LEU B 179 -6.583 -3.096 4.812 1.00 0.47 H new ATOM 0 HD13 LEU B 179 -7.492 -3.089 6.342 1.00 0.47 H new ATOM 0 HD21 LEU B 179 -8.441 -6.013 6.135 1.00 0.43 H new ATOM 0 HD22 LEU B 179 -9.505 -4.658 6.582 1.00 0.43 H new ATOM 0 HD23 LEU B 179 -9.933 -5.711 5.213 1.00 0.43 H new ATOM 979 N GLY B 180 -11.010 -1.709 2.230 1.00 0.22 N ATOM 980 CA GLY B 180 -11.862 -0.587 1.887 1.00 0.23 C ATOM 981 C GLY B 180 -13.265 -1.031 1.530 1.00 0.22 C ATOM 982 O GLY B 180 -14.245 -0.423 1.960 1.00 0.27 O ATOM 0 H GLY B 180 -10.121 -1.741 1.731 1.00 0.22 H new ATOM 0 HA2 GLY B 180 -11.904 0.107 2.726 1.00 0.23 H new ATOM 0 HA3 GLY B 180 -11.428 -0.045 1.047 1.00 0.23 H new ATOM 986 N ILE B 181 -13.362 -2.099 0.745 1.00 0.21 N ATOM 987 CA ILE B 181 -14.656 -2.630 0.343 1.00 0.27 C ATOM 988 C ILE B 181 -15.479 -3.010 1.567 1.00 0.29 C ATOM 989 O ILE B 181 -16.641 -2.624 1.692 1.00 0.35 O ATOM 990 CB ILE B 181 -14.504 -3.866 -0.565 1.00 0.34 C ATOM 991 CG1 ILE B 181 -13.688 -3.516 -1.811 1.00 0.38 C ATOM 992 CG2 ILE B 181 -15.871 -4.410 -0.958 1.00 0.44 C ATOM 993 CD1 ILE B 181 -13.502 -4.681 -2.757 1.00 0.93 C ATOM 0 H ILE B 181 -12.561 -2.612 0.376 1.00 0.21 H new ATOM 0 HA ILE B 181 -15.167 -1.846 -0.217 1.00 0.27 H new ATOM 0 HB ILE B 181 -13.973 -4.639 -0.010 1.00 0.34 H new ATOM 0 HG12 ILE B 181 -14.182 -2.702 -2.342 1.00 0.38 H new ATOM 0 HG13 ILE B 181 -12.709 -3.148 -1.503 1.00 0.38 H new ATOM 0 HG21 ILE B 181 -15.745 -5.282 -1.599 1.00 0.44 H new ATOM 0 HG22 ILE B 181 -16.421 -4.695 -0.061 1.00 0.44 H new ATOM 0 HG23 ILE B 181 -16.427 -3.642 -1.496 1.00 0.44 H new ATOM 0 HD11 ILE B 181 -12.915 -4.361 -3.618 1.00 0.93 H new ATOM 0 HD12 ILE B 181 -12.981 -5.488 -2.242 1.00 0.93 H new ATOM 0 HD13 ILE B 181 -14.476 -5.035 -3.094 1.00 0.93 H new ATOM 1005 N TYR B 182 -14.863 -3.766 2.470 1.00 0.31 N ATOM 1006 CA TYR B 182 -15.533 -4.204 3.689 1.00 0.40 C ATOM 1007 C TYR B 182 -16.093 -3.014 4.466 1.00 0.44 C ATOM 1008 O TYR B 182 -17.264 -3.005 4.847 1.00 0.52 O ATOM 1009 CB TYR B 182 -14.562 -4.994 4.569 1.00 0.44 C ATOM 1010 CG TYR B 182 -15.223 -5.671 5.749 1.00 0.56 C ATOM 1011 CD1 TYR B 182 -15.817 -6.921 5.614 1.00 1.42 C ATOM 1012 CD2 TYR B 182 -15.252 -5.063 6.998 1.00 1.25 C ATOM 1013 CE1 TYR B 182 -16.421 -7.543 6.690 1.00 1.52 C ATOM 1014 CE2 TYR B 182 -15.854 -5.680 8.079 1.00 1.30 C ATOM 1015 CZ TYR B 182 -16.437 -6.920 7.919 1.00 0.84 C ATOM 1016 OH TYR B 182 -17.036 -7.538 8.993 1.00 0.99 O ATOM 0 H TYR B 182 -13.899 -4.088 2.380 1.00 0.31 H new ATOM 0 HA TYR B 182 -16.365 -4.848 3.405 1.00 0.40 H new ATOM 0 HB2 TYR B 182 -14.066 -5.749 3.960 1.00 0.44 H new ATOM 0 HB3 TYR B 182 -13.787 -4.320 4.935 1.00 0.44 H new ATOM 0 HD1 TYR B 182 -15.806 -7.414 4.653 1.00 1.42 H new ATOM 0 HD2 TYR B 182 -14.797 -4.092 7.127 1.00 1.25 H new ATOM 0 HE1 TYR B 182 -16.879 -8.514 6.568 1.00 1.52 H new ATOM 0 HE2 TYR B 182 -15.868 -5.194 9.043 1.00 1.30 H new ATOM 0 HH TYR B 182 -16.959 -6.966 9.785 1.00 0.99 H new ATOM 1026 N ILE B 183 -15.249 -2.015 4.705 1.00 0.44 N ATOM 1027 CA ILE B 183 -15.665 -0.823 5.437 1.00 0.55 C ATOM 1028 C ILE B 183 -16.761 -0.068 4.691 1.00 0.56 C ATOM 1029 O ILE B 183 -17.752 0.360 5.284 1.00 0.67 O ATOM 1030 CB ILE B 183 -14.485 0.137 5.681 1.00 0.60 C ATOM 1031 CG1 ILE B 183 -13.265 -0.627 6.201 1.00 0.63 C ATOM 1032 CG2 ILE B 183 -14.888 1.229 6.661 1.00 0.74 C ATOM 1033 CD1 ILE B 183 -13.568 -1.538 7.369 1.00 1.10 C ATOM 0 H ILE B 183 -14.275 -2.007 4.403 1.00 0.44 H new ATOM 0 HA ILE B 183 -16.048 -1.170 6.396 1.00 0.55 H new ATOM 0 HB ILE B 183 -14.216 0.602 4.732 1.00 0.60 H new ATOM 0 HG12 ILE B 183 -12.846 -1.221 5.388 1.00 0.63 H new ATOM 0 HG13 ILE B 183 -12.500 0.089 6.500 1.00 0.63 H new ATOM 0 HG21 ILE B 183 -14.045 1.900 6.825 1.00 0.74 H new ATOM 0 HG22 ILE B 183 -15.727 1.793 6.253 1.00 0.74 H new ATOM 0 HG23 ILE B 183 -15.181 0.777 7.609 1.00 0.74 H new ATOM 0 HD11 ILE B 183 -12.655 -2.045 7.682 1.00 1.10 H new ATOM 0 HD12 ILE B 183 -13.958 -0.948 8.199 1.00 1.10 H new ATOM 0 HD13 ILE B 183 -14.310 -2.279 7.070 1.00 1.10 H new ATOM 1045 N GLY B 184 -16.573 0.093 3.385 1.00 0.49 N ATOM 1046 CA GLY B 184 -17.540 0.807 2.570 1.00 0.55 C ATOM 1047 C GLY B 184 -18.911 0.157 2.562 1.00 0.61 C ATOM 1048 O GLY B 184 -19.918 0.821 2.804 1.00 0.72 O ATOM 0 H GLY B 184 -15.764 -0.260 2.874 1.00 0.49 H new ATOM 0 HA2 GLY B 184 -17.632 1.829 2.938 1.00 0.55 H new ATOM 0 HA3 GLY B 184 -17.168 0.869 1.547 1.00 0.55 H new ATOM 1052 N ARG B 185 -18.952 -1.142 2.284 1.00 0.58 N ATOM 1053 CA ARG B 185 -20.215 -1.874 2.234 1.00 0.70 C ATOM 1054 C ARG B 185 -21.040 -1.645 3.497 1.00 0.81 C ATOM 1055 O ARG B 185 -22.270 -1.657 3.456 1.00 0.96 O ATOM 1056 CB ARG B 185 -19.955 -3.369 2.055 1.00 0.71 C ATOM 1057 CG ARG B 185 -19.077 -3.964 3.136 1.00 0.66 C ATOM 1058 CD ARG B 185 -19.296 -5.460 3.277 1.00 0.80 C ATOM 1059 NE ARG B 185 -19.294 -6.140 1.984 1.00 1.20 N ATOM 1060 CZ ARG B 185 -19.705 -7.391 1.809 1.00 1.57 C ATOM 1061 NH1 ARG B 185 -20.158 -8.092 2.839 1.00 1.68 N ATOM 1062 NH2 ARG B 185 -19.665 -7.942 0.603 1.00 2.16 N ATOM 0 H ARG B 185 -18.127 -1.710 2.090 1.00 0.58 H new ATOM 0 HA ARG B 185 -20.781 -1.499 1.381 1.00 0.70 H new ATOM 0 HB2 ARG B 185 -20.909 -3.896 2.042 1.00 0.71 H new ATOM 0 HB3 ARG B 185 -19.486 -3.534 1.085 1.00 0.71 H new ATOM 0 HG2 ARG B 185 -18.030 -3.770 2.902 1.00 0.66 H new ATOM 0 HG3 ARG B 185 -19.288 -3.474 4.087 1.00 0.66 H new ATOM 0 HD2 ARG B 185 -18.515 -5.882 3.909 1.00 0.80 H new ATOM 0 HD3 ARG B 185 -20.246 -5.641 3.780 1.00 0.80 H new ATOM 0 HE ARG B 185 -18.958 -5.625 1.170 1.00 1.20 H new ATOM 0 HH11 ARG B 185 -20.191 -7.671 3.767 1.00 1.68 H new ATOM 0 HH12 ARG B 185 -20.473 -9.052 2.703 1.00 1.68 H new ATOM 0 HH21 ARG B 185 -19.318 -7.405 -0.192 1.00 2.16 H new ATOM 0 HH22 ARG B 185 -19.981 -8.903 0.471 1.00 2.16 H new